CID 146081992

2386799-13-7

Structural Information

Molecular Formula
C11H18O3
SMILES
CC(C)(C)OC1CC2(C1)CC2C(=O)O
InChI
InChI=1S/C11H18O3/c1-10(2,3)14-7-4-11(5-7)6-8(11)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKey
YYQKBUAWGZQNPD-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxy]spiro[2.3]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 148.6
[M+Na]+ 221.11482 154.9
[M+NH4]+ 216.15942 153.9
[M+K]+ 237.08876 152.6
[M-H]- 197.11832 152.7
[M+Na-2H]- 219.10027 153.0
[M]+ 198.12505 150.7
[M]- 198.12615 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.